Vitas-M small molecule compound
2-bromo-4-{(1E)-2-cyano-3-[(3-iodophenyl)amino]-3-oxoprop-1-en-1-yl}-6-methoxyphenyl acetate
Catalog ID
STK379327
SMILES N#C/C(=C\c1cc(Br)c(c(c1)OC)OC(=O)C)/C(=O)Nc1cccc(c1)I
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C19H14BrIN2O4 MW 541.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14BrIN2O4/c1-11(24)27-18-16(20)7-12(8-17(18)26-2)6-13(10-22)19(25)23-15-5-3-4-14(21)9-15/h3-9H,1-2H3,(H,23,25)/b13-6+InChIKey
KLCORUGIONOYHF-AWNIVKPZSA-NSynonyms
(2BROMO4((E)2CYANO3(3IODOANILINO)3OXOPROP1ENYL)6METHOXYPHENYL)ACETATE
2bromo4((1E)2cyano3((3iodophenyl)amino)3oxoprop1en1yl)6methoxyphenylacetate
4((1E)2CYANO2(N(3IODOPHENYL)CARBAMOYL)VINYL)2BROMO6METHOXYPHENYLACETATE
CC(=O)OC1=C(C=C(C=C1Br)C=C(C#N)C(=O)NC2=CC(=CC=C2)I)OC
InChI=1SC19H14BrIN2O4c111(24)271816(20)712(817(18)262)613(1022)19(25)231553414(21)915h39H12H3(H2325)b136+
MFCD02067921
N#CC(=Cc1cc(Br)c(c(c1)OC)OC(=O)C)C(=O)Nc1cccc(c1)I
ZINC000097962934
ZINC97962934
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